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Home > Boronic Acids > 957034-89-8
957034-89-8 | Benzoic acid,4-borono-2-bromo-5-fluoro-
CAS No: 957034-89-8 Catalog No: AG00IJD5 MDL No:MFCD09475847
Product Description
Catalog Number:
AG00IJD5
Chemical Name:
Benzoic acid,4-borono-2-bromo-5-fluoro-
CAS Number:
957034-89-8
Molecular Formula:
C7H5BBrFO4
Molecular Weight:
262.8256
MDL Number:
MFCD09475847
IUPAC Name:
4-borono-2-bromo-5-fluorobenzoic acid
InChI:
InChI=1S/C7H5BBrFO4/c9-5-2-4(8(13)14)6(10)1-3(5)7(11)12/h1-2,13-14H,(H,11,12)
InChI Key:
YPNMKBPQTGVYEQ-UHFFFAOYSA-N
SMILES:
OB(c1cc(Br)c(cc1F)C(=O)O)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.945g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.825g/mol
Monoisotopic Mass:
261.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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